
 CHEMBL424268

 73 76  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL424268

>  <PubChem CID>
10530740

>  <Formula>
C31H32N6O4

>  <Molecular Weight>
552.635000

>  <IUPAC Name>
(E)-3-(6-acetamidopyridin-3-yl)-N-[2-oxo-2-[N,2,4-trimethyl-3-[(3-methylquinoxalin-5-yl)oxymethyl]anilino]ethyl]prop-2-enamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C(=C(C=C1)N(C)C(=O)CNC(=O)C=CC2=CN=C(C=C2)NC(=O)C)C)COC3=CC=CC4=NC=C(N=C43)C

>  <Isomeric SMILES>
CC1=C(C(=C(C=C1)N(C)C(=O)CNC(=O)/C=C/C2=CN=C(C=C2)NC(=O)C)C)COC3=CC=CC4=NC=C(N=C43)C

>  <InChI Std. ID>
InChI=1S/C31H32N6O4/c1-19-9-12-26(21(3)24(19)18-41-27-8-6-7-25-31(27)35-20(2)15-32-25)37(5)30(40)17-34-29(39)14-11-23-10-13-28(33-16-23)36-22(4)38/h6-16H,17-18H2,1-5H3,(H,34,39)(H,33,36,38)/b14-11+

>  <InChI Key>
FSZTYVUALDTBLQ-SDNWHVSQSA-N

